Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
2.7484 4.2925 1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2630 3.8283 0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8261 3.9853 -0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1321 2.7982 -0.4922 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0510 1.7821 0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 1.9175 1.5521 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8277 0.5309 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0321 -0.6789 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2566 -0.7910 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7022 0.0186 -1.1124 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0161 -1.9231 0.0256 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2548 -2.2246 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2910 -1.2150 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4020 -1.5364 0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0344 0.5557 1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9178 -0.6138 0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5661 -1.7025 1.3638 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1092 -0.5905 0.1474 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9223 -1.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2069 -2.8413 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6644 -3.3324 -1.8219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2983 0.5536 -1.2038 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7849 4.1891 1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0945 4.7937 1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9573 3.3301 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7712 4.5815 -1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3696 4.6558 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6345 -1.5695 0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0855 -0.7189 1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 -2.4451 -1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5824 -3.1912 -0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2087 -0.1767 -0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5797 -2.5540 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1956 -0.8291 0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6528 0.6350 2.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5472 1.5286 0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2335 -2.0597 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8435 -1.4349 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3066 -3.2330 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5739 -2.9284 -2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1441 -4.1156 -2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5986 0.4901 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers